CID 173209452

C5H10NNa2O6P — CID 173209452

IUPAC—
SMILESCC(=O)N(O)C=COOP(C)(=O)O.[Na].[Na]
InChIInChI=1S/C5H10NO6P.2Na/c1-5(7)6(8)3-4-11-12-13(2,9)10;;/h3-4,8H,1-2H3,(H,9,10);;
InChIKeyDKGZSCLCACXNDU-UHFFFAOYSA-N
MW257.09 g/mol
LogP-0.30
Rot. Bonds4

About CID 173209452

CID 173209452 (PubChem CID 173209452) has the molecular formula C5H10NNa2O6P and a molecular weight of 257.09 g/mol.

Molecular Properties

Compound NameCID 173209452
PubChem CID173209452
Molecular FormulaC5H10NNa2O6P
Molecular Weight257.09 g/mol
Exact Mass257.00
IUPAC Name—
SMILESCC(=O)N(O)C=COOP(C)(=O)O.[Na].[Na]
InChIInChI=1S/C5H10NO6P.2Na/c1-5(7)6(8)3-4-11-12-13(2,9)10;;/h3-4,8H,1-2H3,(H,9,10);;
InChIKeyDKGZSCLCACXNDU-UHFFFAOYSA-N
XLogP-0.30
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173209452?
The IUPAC name of CID 173209452 (CID 173209452) is not available.
What is the SMILES notation for CID 173209452?
The canonical SMILES for CID 173209452 is CC(=O)N(O)C=COOP(C)(=O)O.[Na].[Na].
What is the InChIKey of CID 173209452?
The InChIKey is DKGZSCLCACXNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO6P.2Na/c1-5(7)6(8)3-4-11-12-13(2,9)10;;/h3-4,8H,1-2H3,(H,9,10);;.
What are the key properties of CID 173209452?
CID 173209452 has a molecular weight of 257.09 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173209452 is sourced from PubChem (CID 173209452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).